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tert-butyl 3,3-bis(bromomethyl)azetidine-1-carboxylate - 97%, high purity , CAS No.2098131-64-5

COA

Grade & Purity:

≥97%

Cas Number: 2098131-64-5
Molecular Weight: 343.05
EC Number: 840-841-8
PubChem CID: 121207694

In stock

Item Number

T631617

Grouped product items
SKU	Size	Availability	Price
T631617-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$144.90
T631617-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$434.90
T631617-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$724.90

Basic Description

Synonyms	P19872 \| 1-Boc-3,3-bis(bromomethyl)azetidine \| AS-77812 \| EN300-1678874 \| AKOS026716914 \| SY323476 \| F2147-4170 \| CS-0183821 \| 2098131-64-5 \| SCHEMBL24650694 \| tert-butyl 3,3-bis(bromomethyl)azetidine-1-carboxylate \| MFCD30002804 \| t-Butyl 3,3-bis(bromome
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Azetidinecarboxylic acids or derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Azetidinecarboxylic acids
Alternative Parents	Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl 3,3-bis(bromomethyl)azetidine-1-carboxylate
INCHI	InChI=1S/C10H17Br2NO2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7H2,1-3H3
InChIKey	PTPMUVBEPVNPSQ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)(CBr)CBr
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)(CBr)CBr
Alternate CAS	2098131-64-5
PubChem CID	121207694
Molecular Weight	343.05

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	343.060 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	342.961 Da
Monoisotopic Mass	340.963 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	238.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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